4-[2-methoxy-4-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-methoxy-4-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]butanoic acid Openeye Name: 4-[2-methoxy-4-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)phenoxy]butanoic acid CAS Name: 4-[2-methoxy-4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]butanoic acid IUPAC Name: 4-[2-methoxy-4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]butanoic acid Traditional Name: 4-[4-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)-2-methoxy-phenoxy]butyric acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCCC(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-27-15-11-12(8-9-14(15)28-10-4-7-17(24)25)19-22-20(26)18-13-5-2-3-6-16(13)29-21(18)23-19/h8-9,11H,2-7,10H2,1H3,(H,24,25)(H,22,23,26)